Target
Heat shock 70 kDa protein 6
Ligand
BDBM50617288
Substrate
n/a
Meas. Tech.
ChEMBL_2311417
IC50
<500±n/a nM
Citation
 Ambrose, AJSivinski, JZerio, CJZhu, XGodek, JKumirov, VKComa Brujas, TTorra Garcia, JAnnadurai, ASchmidlin, CJWerner, AShi, TZavareh, RBLairson, LZhang, DDChapman, E Discovery and Development of a Selective Inhibitor of the ER Resident Chaperone Grp78. J Med Chem 66:677-694 (2023) [PubMed] 
Target
Name:
Heat shock 70 kDa protein 6
Synonyms:
Heat shock 70 kDa protein 6 | Heat shock 70 kDa protein B' | Heat shock protein family A member 6 | HSP70B' | HSPA6
Type:
PROTEIN
Mol. Mass.:
71023.27
Organism:
Homo sapiens
Description:
ChEMBL_108276
Residue:
643
Sequence:
MQAPRELAVGIDLGTTYSCVGVFQQGRVEILANDQGNRTTPSYVAFTDTERLVGDAAKSQAALNPHNTVFDAKRLIGRKFADTTVQSDMKHWPFRVVSEGGKPKVRVCYRGEDKTFYPEEISSMVLSKMKETAEAYLGQPVKHAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDRRGAGERNVLIFDLGGGTFDVSVLSIDAGVFEVKATAGDTHLGGEDFDNRLVNHFMEEFRRKHGKDLSGNKRALRRLRTACERAKRTLSSSTQATLEIDSLFEGVDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAVLMGDKCEKVQDLLLLDVAPLSLGLETAGGVMTTLIQRNATIPTKQTQTFTTYSDNQPGVFIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILSVTATDRSTGKANKITITNDKGRLSKEEVERMVHEAEQYKAEDEAQRDRVAAKNSLEAHVFHVKGSLQEESLRDKIPEEDRRKMQDKCREVLAWLEHNQLAEKEEYEHQKRELEQICRPIFSRLYGGPGVPGGSSCGTQARQGDPSTGPIIEEVD
  
Inhibitor
Name:
BDBM50617288
Synonyms:
CHEMBL5410116
Type:
Small organic molecule
Emp. Form.:
C20H24N4O2S
Mol. Mass.:
384.51
SMILES:
CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(C)c(C)s1
Structure:
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